種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(cncs1)NC(=O)Nc2c(cc(cc2F)c3cccc(c3)OC)F |
InChI | InChI | 1.03 | InChI=1S/C17H13F2N3O2S/c1-24-12-4-2-3-10(5-12)11-6-13(18)16(14(19)7-11)22-17(23)21-15-8-20-9-25-15/h2-9H,1H3,(H2,21,22,23) |
InChIKey | InChI | 1.03 | FLPJNPHNEKGCBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2cc(F)c(NC(=O)Nc3scnc3)c(F)c2 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)c2cc(F)c(NC(=O)Nc3scnc3)c(F)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F |